1-[2-(5-methoxyindol-1-yl)acetyl]pyrrolidine-2-carboxamide

C16H19N3O3 — CID 42648794

IUPAC1-[2-(5-methoxyindol-1-yl)acetyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc2c(ccn2CC(=O)N2CCCC2C(N)=O)c1
InChIInChI=1S/C16H19N3O3/c1-22-12-4-5-13-11(9-12)6-8-18(13)10-15(20)19-7-2-3-14(19)16(17)21/h4-6,8-9,14H,2-3,7,10H2,1H3,(H2,17,21)
InChIKeyMSDQHFWHSXRSCO-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.13
Rot. Bonds4

About 1-[2-(5-methoxyindol-1-yl)acetyl]pyrrolidine-2-carboxamide

1-[2-(5-methoxyindol-1-yl)acetyl]pyrrolidine-2-carboxamide (PubChem CID 42648794) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-[2-(5-methoxyindol-1-yl)acetyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-(5-methoxyindol-1-yl)acetyl]pyrrolidine-2-carboxamide
PubChem CID42648794
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name1-[2-(5-methoxyindol-1-yl)acetyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc2c(ccn2CC(=O)N2CCCC2C(N)=O)c1
InChIInChI=1S/C16H19N3O3/c1-22-12-4-5-13-11(9-12)6-8-18(13)10-15(20)19-7-2-3-14(19)16(17)21/h4-6,8-9,14H,2-3,7,10H2,1H3,(H2,17,21)
InChIKeyMSDQHFWHSXRSCO-UHFFFAOYSA-N
XLogP1.13
TPSA77.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-methoxyindol-1-yl)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]ethanone
CID 55889042
1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-(5-methoxyindol-1-yl)ethanone
CID 110891728
2-(5-methoxyindol-1-yl)-1-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 95323554
1-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-(5-methoxyindol-1-yl)ethanone
CID 94487425
(2S)-1-(4-methoxybenzoyl)pyrrolidine-2-carboxamide
CID 110867482
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-(5-methoxyindol-1-yl)acetamide
CID 71753916
(2S)-1-[4-(4-methoxyphenoxy)benzoyl]pyrrolidine-2-carboxamide
CID 46986685
ethyl 4-(5-methoxyindol-1-yl)-3-oxobutanoate
CID 63899069
1-[(1R,2S,9R,10R)-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-en-3-yl]-2-(5-methoxyindol-1-yl)ethanone
CID 124939342
[2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-bromo-5-methoxybenzoate
CID 8809019
3-(5-methoxyindol-1-yl)propanamide
CID 116619447
(2R)-1-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoyl]pyrrolidine-2-carboxamide
CID 39889964

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-methoxyindol-1-yl)acetyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-(5-methoxyindol-1-yl)acetyl]pyrrolidine-2-carboxamide (CID 42648794) is 1-[2-(5-methoxyindol-1-yl)acetyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-(5-methoxyindol-1-yl)acetyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-(5-methoxyindol-1-yl)acetyl]pyrrolidine-2-carboxamide is COc1ccc2c(ccn2CC(=O)N2CCCC2C(N)=O)c1.
What is the InChIKey of 1-[2-(5-methoxyindol-1-yl)acetyl]pyrrolidine-2-carboxamide?
The InChIKey is MSDQHFWHSXRSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-22-12-4-5-13-11(9-12)6-8-18(13)10-15(20)19-7-2-3-14(19)16(17)21/h4-6,8-9,14H,2-3,7,10H2,1H3,(H2,17,21).
What are the key properties of 1-[2-(5-methoxyindol-1-yl)acetyl]pyrrolidine-2-carboxamide?
1-[2-(5-methoxyindol-1-yl)acetyl]pyrrolidine-2-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-methoxyindol-1-yl)acetyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 42648794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).